SCHEMBL22912360

SCHEMBL22912360

COC(=O)CCCC(CCSCc1ccccc1)SCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.46
▸ LMNA P02545 3/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13333203 0.97 CYP2C19 (0.46) CYP2C19LMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL26613581 0.91 CYP2C19 (0.42) CYP2C19LMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL26613582 0.89 CYP2C19 (0.41) CYP2C19LMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL22912362 0.86 CYP2C19 (0.44) CYP2C19LMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL17381511 0.84 CYP2C19 (0.44) CYP2C19LMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL17045918 0.84 CYP2C19 (0.56) CYP2C19LMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL17381367 0.83 CYP2C19 (0.49) CYP2C19LMNAALDH1A1SMN1; SMN2HPGD
Cpi 613 SCHEMBL1062218 0.83 CYP2C19 (0.59) CYP2C19LMNAALDH1A1SMN1; SMN2HPGD
Cpi 613 SCHEMBL13333201 0.83 CYP2C19 (0.59) CYP2C19LMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL9069764 0.82 CYP2C19 (0.57) CYP2C19LMNAALDH1A1SMN1; SMN2HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348373-A1 DEUTERATED DERIVATIVES OF 6,8-BIS(BENZYLSULFANYL)OCTANOIC ACID RAFAEL PHARMACEUTICALS, INC. (US) 2023-11-02 — — US disclosed
US-20230348373-A1 DEUTERATED DERIVATIVES OF 6,8-BIS(BENZYLSULFANYL)OCTANOIC ACID RAFAEL PHARMACEUTICALS, INC. (US) 2023-11-02 — — US disclosed
WO-2021011334-A1 DEUTERATED DERIVATIVES OF 6,8-BIS(BENZYLSULFANYL)OCTANOIC ACID RAFAEL PHARMACEUTICALS, INC. (US) 2021-01-21 — — WO disclosed
WO-2021011334-A1 DEUTERATED DERIVATIVES OF 6,8-BIS(BENZYLSULFANYL)OCTANOIC ACID RAFAEL PHARMACEUTICALS, INC. (US) 2021-01-21 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230348373-A1 DEUTERATED DERIVATIVES OF 6,8-BIS(BENZYLSULFANYL)OCTANOIC ACID SCD5, DHCR7, BCL6 CYP2C19 1131/4885LMNA 2888/4885ALDH1A1 1740/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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